1-(propan-2-ylamino)-3-(1,2,4-triazol-1-yl)propan-2-ol

C8H16N4O — CID 43165943

IUPAC1-(propan-2-ylamino)-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESCC(C)NCC(O)Cn1cncn1
InChIInChI=1S/C8H16N4O/c1-7(2)10-3-8(13)4-12-6-9-5-11-12/h5-8,10,13H,3-4H2,1-2H3
InChIKeyAQRDGKSEZCZUCX-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.36
Rot. Bonds5

About 1-(propan-2-ylamino)-3-(1,2,4-triazol-1-yl)propan-2-ol

1-(propan-2-ylamino)-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 43165943) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID43165943
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name1-(propan-2-ylamino)-3-(1,2,4-triazol-1-yl)propan-2-ol
SMILESCC(C)NCC(O)Cn1cncn1
InChIInChI=1S/C8H16N4O/c1-7(2)10-3-8(13)4-12-6-9-5-11-12/h5-8,10,13H,3-4H2,1-2H3
InChIKeyAQRDGKSEZCZUCX-UHFFFAOYSA-N
XLogP-0.36
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 1-(propan-2-ylamino)-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 43165943) is 1-(propan-2-ylamino)-3-(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(propan-2-ylamino)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(propan-2-ylamino)-3-(1,2,4-triazol-1-yl)propan-2-ol is CC(C)NCC(O)Cn1cncn1.
What is the InChIKey of 1-(propan-2-ylamino)-3-(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is AQRDGKSEZCZUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-7(2)10-3-8(13)4-12-6-9-5-11-12/h5-8,10,13H,3-4H2,1-2H3.
What are the key properties of 1-(propan-2-ylamino)-3-(1,2,4-triazol-1-yl)propan-2-ol?
1-(propan-2-ylamino)-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 184.24 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 43165943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).